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Target
1-deoxy-D-xylulose-5-phosphate synthase
Ligand
BDBM51305
Substrate
n/a
Meas. Tech.
ChEMBL_535725 (CHEMBL989742)
IC50
23000±n/a nM
Citation
 Mao, J; Eoh, H; He, R; Wang, Y; Wan, B; Franzblau, SG; Crick, DC; Kozikowski, AP Structure-activity relationships of compounds targeting mycobacterium tuberculosis 1-deoxy-D-xylulose 5-phosphate synthase. Bioorg Med Chem Lett 18:5320-3 (2008) [PubMed]  Article 
Target
Name:
1-deoxy-D-xylulose-5-phosphate synthase
Synonyms:
DXS_MYCTU | dxs
Type:
PROTEIN
Mol. Mass.:
67882.02
Organism:
Mycobacterium tuberculosis
Description:
ChEMBL_1441273
Residue:
638
Sequence:
MLQQIRGPADLQHLSQAQLRELAAEIREFLIHKVAATGGHLGPNLGVVELTLALHRVFDSPHDPIIFDTGHQAYVHKMLTGRSQDFATLRKKGGLSGYPSRAESEHDWVESSHASAALSYADGLAKAFELTGHRNRHVVAVVGDGALTGGMCWEALNNIAASRRPVIIVVNDNGRSYAPTIGGVADHLATLRLQPAYEQALETGRDLVRAVPLVGGLWFRFLHSVKAGIKDSLSPQLLFTDLGLKYVGPVDGHDERAVEVALRSARRFGAPVIVHVVTRKGMGYPPAEADQAEQMHSTVPIDPATGQATKVAGPGWTATFSDALIGYAQKRRDIVAITAAMPGPTGLTAFGQRFPDRLFDVGIAEQHAMTSAAGLAMGGLHPVVAIYSTFLNRAFDQIMMDVALHKLPVTMVLDRAGITGSDGASHNGMWDLSMLGIVPGIRVAAPRDATRLREELGEALDVDDGPTALRFPKGDVGEDISALERRGGVDVLAAPADGLNHDVLLVAIGAFAPMALAVAKRLHNQGIGVTVIDPRWVLPVSDGVRELAVQHKLLVTLEDNGVNGGAGSAVSAALRRAEIDVPCRDVGLPQEFYEHASRSEVLADLGLTDQDVARRITGWVAALGTGVCASDAIPEHLD
  
Inhibitor
Name:
BDBM51305
Synonyms:
3,5-diphenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one | 3,5-diphenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one | CHEMBL522946 | MLS000850151 | SMR000456169 | cid_2810970
Type:
Small organic molecule
Emp. Form.:
C19H12F3N3O
Mol. Mass.:
355.3133
SMILES:
FC(F)(F)c1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: